Isoplatydesmine
PubChem CID: 11219133
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| Compound Synonyms | Isoplatydesmine, CHEMBL21394, 2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C15H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VLHROMVHVKMNLA-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Isoplatydesmine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 259.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 259.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 259.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7556646842105263 |
| Inchi | InChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3 |
| Smiles | CC(C)(C1CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients